PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-4-(4-bromophenyl)-3-(4-ethoxyphenyl)-2(3h)-thiazolylidene]hydrazide (C23H20BrN5O3S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N\2C(=CS/C2=N\NC(=O)COC3=NC=CN=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN5O3S/c1-2-31-19-9-7-18(8-10-19)29-20(16-3-5-17(24)6-4-16)15-33-23(29)28-27-21(30)14-32-22-13-25-11-12-26-22/h3-13,15H,2,14H2,1H3,(H,27,30)/b28-23-

InChIKey

UBNSCODFDIHAPB-NFFVHWSESA-N

Compound name

N-[(Z)-[4-(4-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	526.05428	202.1
[M+Na]+	548.03622	212.0
[M-H]-	524.03972	214.9
[M+NH4]+	543.08082	210.2
[M+K]+	564.01016	198.8
[M+H-H2O]+	508.04426	197.5
[M+HCOO]-	570.04520	219.4
[M+CH3COO]-	584.06085	212.7
[M+Na-2H]-	546.02167	205.6
[M]+	525.04645	225.6
[M]-	525.04755	225.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.05428

202.1

[M+Na]+

548.03622

212.0

[M-H]-

524.03972

214.9

[M+NH4]+

543.08082

210.2

[M+K]+

564.01016

198.8

[M+H-H2O]+

508.04426

197.5

[M+HCOO]-

570.04520

219.4

[M+CH3COO]-

584.06085

212.7

[M+Na-2H]-

546.02167

205.6

[M]+

525.04645

225.6

[M]-

525.04755

225.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Acetic acid, (pyrazinyloxy)-, [(2z)-4-(4-bromophenyl)-3-(4-ethoxyphenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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